(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

C18H20N4O2 — CID 95275178

IUPAC(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C18H20N4O2/c23-17(11-15-14-6-1-2-7-16(14)20-18(15)24)21-9-3-5-13(12-21)22-10-4-8-19-22/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2,(H,20,24)/t13-,15+/m1/s1
InChIKeyOLKDNSHIBVZEPR-HIFRSBDPSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds3

About (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one

(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (PubChem CID 95275178) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
PubChem CID95275178
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C18H20N4O2/c23-17(11-15-14-6-1-2-7-16(14)20-18(15)24)21-9-3-5-13(12-21)22-10-4-8-19-22/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2,(H,20,24)/t13-,15+/m1/s1
InChIKeyOLKDNSHIBVZEPR-HIFRSBDPSA-N
XLogP2.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694649
4-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110694594
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 110694583
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
1-[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]piperidine-4-carboxamide
CID 110694627
1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95160540
3-[2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95281683
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95158672
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
3-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95309669

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one (CID 95275178) is (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
The InChIKey is OLKDNSHIBVZEPR-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(11-15-14-6-1-2-7-16(14)20-18(15)24)21-9-3-5-13(12-21)22-10-4-8-19-22/h1-2,4,6-8,10,13,15H,3,5,9,11-12H2,(H,20,24)/t13-,15+/m1/s1.
What are the key properties of (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one?
(3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-oxo-2-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 95275178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).